Výsledky vyhledávání - "P.K., Sruthi"

Pentavalent phosphorus as a unique phosphorus donor in POCl3 homodimer and POCl3–H2O heterodimer: matrix isolation infrared spectroscopic and computational studies

Autor: K. Sundararajan, N. Ramanathan, Shubhra Sarkar, P.K. Sruthi

Publikováno v: Physical Chemistry Chemical Physics. 20:22058-22075

Phosphorus, an important element among the pnicogen group, opens up avenues for experimental and computational explorations of its interaction in a variety of compounds. Although experimental proof of trivalent phosphorus bonding is limited and is gr

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::44cf9df819c70b042439ee3847cf1a19
https://doi.org/10.1039/c8cp03937b

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Pentavalent P…N phosphorus bonding in the heterodimers of POCl3…nitrogen bases: Evidence from matrix isolation infrared spectroscopy and Ab initio computations

Autor: N. Ramanathan, P.K. Sruthi, K. Sundararajan

Publikováno v: Journal of Molecular Structure. 1241:130638

The present work explores the P…N phosphorus bonding with phosphoryl chloride (POCl3) prototype against a series of nitrogen bases such as ammonia (NH3), aniline (C6H5NH2), and pyridine (C5H5N), arranged in increasing order of basicity. Experiments

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::99c84a8c0ca47672e4aed3bf7b469626
https://doi.org/10.1016/j.molstruc.2021.130638

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Elusive hypervalent phosphorusπ interactions: evidence for paradigm transformation from hydrogen to phosphorus bonding at low temperatures

Autor: P.K. Sruthi, Shubhra Sarkar, K. Sundararajan, N. Ramanathan

Publikováno v: Physical chemistry chemical physics : PCCP. 21(23)

The π electron systems are the conventional electron donors to the hydrogen acceptors in hydrogen bonding. Apart from the hydrogen atom, halogens, chalcogens, pnicogens and triel/tetrel atoms can also be envisaged as electron acceptors involving π

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::d020364903934bf8c79375ab7b19978b
https://pubmed.ncbi.nlm.nih.gov/31139812

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Exploring pentavalent phosphorous bonding in phosphoryl chloride-halocarbon heterodimers at low temperatures and ab initio Computations

Autor: N. Ramanathan, Shubhra Sarkar, P.K. Sruthi, K. Sundararajan

Publikováno v: Chemical Physics. 545:111112

In this work, POCl3 prototype was examined with competing hydrogen, halogen, tetrel and pnicogen (phosphorus) bonding partners under isolated conditions at low temperatures, which were supported by quantum chemical calculations. Computations on 1:1 h

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::77603a8e1bec83b92cd2ab17b53a10b1
https://doi.org/10.1016/j.chemphys.2021.111112

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Unusual blue to red shifting of C–H stretching frequency of CHCl3 in co-operatively P⋯Cl phosphorus bonded POCl3–CHCl3 heterodimers at low temperature inert matrixes

Autor: P.K. Sruthi, Swaroop Chandra, K. Sundararajan, N. Ramanathan

Publikováno v: The Journal of Chemical Physics. 153:174305

Heterodimers of POCl3—CHCl3 were generated in Ne, Ar, and Kr matrixes at low temperatures and were studied using infrared spectroscopy. The remarkable role of co-operative pentavalent phosphorus bonding in the stabilization of the structure dictate

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::c58ac5f777cd10d599afbaf5b9222432
https://doi.org/10.1063/5.0031162

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Computational and experimental evidence of N–H…π and cooperative πN…π∗ interactions in pyrrole…benzene and pyrrole…ethylene heterodimers at low temperatures

Autor: Shubhra Sarkar, N. Ramanathan, P.K. Sruthi, K. Sundararajan

Publikováno v: Journal of Molecular Structure. 1209:127983

The interaction between pyrrole with benzene and ethylene was investigated using matrix isolation infrared spectroscopy and ab initio computations. Computations indicated the global minimum structure of pyrrole-benzene and pyrrole-ethylene heterodime

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::d22a155725ff3e74c1608a04833180c0
https://doi.org/10.1016/j.molstruc.2020.127983

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Experimental evidence of N–H⋯N hydrogen bonding in the heterodimers of pyrrole with nitrogen bases

Autor: N. Ramanathan, P.K. Sruthi, Shubhra Sarkar, K. Sundararajan

Publikováno v: Journal of Molecular Structure. 1204:127511

The hydrogen bonded heterodimers of pyrrole (C4H5N) with nitrogen bases, ammonia (NH3), pyridine (C5H5N) and quinoline (C9H7N) have been studied in Ar and N2 matrices at low temperatures. The heterodimers were characterized using infrared spectroscop

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::2bf058bf4ce733bcdce7f8b6f339e17f
https://doi.org/10.1016/j.molstruc.2019.127511

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